REMARK Name = BDB049065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.567 0.434 0.437 0.00 0.00 +0.030 A ATOM 2 C LIG 1 0.508 -0.078 -0.328 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.834 0.178 -0.011 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.172 0.961 1.096 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -0.131 1.487 1.865 0.00 0.00 +0.006 A ATOM 6 C LIG 1 1.207 1.222 1.540 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 5.710 -0.320 -0.578 0.00 0.00 -0.327 N ATOM 8 C LIG 1 5.192 -0.557 0.781 0.00 0.00 +0.124 C ATOM 9 C LIG 1 3.971 0.336 1.105 0.00 0.00 +0.124 C ATOM 10 N LIG 1 2.889 0.176 0.119 0.00 0.00 -0.327 N ATOM 11 C LIG 1 3.293 -0.229 -1.238 0.00 0.00 +0.124 C ATOM 12 C LIG 1 4.746 0.191 -1.567 0.00 0.00 +0.124 C BRANCH 7 17 ATOM 13 C LIG 1 11.229 -1.198 -1.890 0.00 0.00 +0.044 C ATOM 14 C LIG 1 9.781 -0.991 -1.565 0.00 0.00 -0.050 A ATOM 15 C LIG 1 9.207 -1.600 -0.449 0.00 0.00 +0.005 A ATOM 16 C LIG 1 7.860 -1.376 -0.130 0.00 0.00 +0.023 A ATOM 17 C LIG 1 7.039 -0.535 -0.898 0.00 0.00 +0.030 A ATOM 18 C LIG 1 7.644 0.074 -2.008 0.00 0.00 +0.023 A ATOM 19 C LIG 1 8.991 -0.140 -2.336 0.00 0.00 +0.005 A ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 4 20 ATOM 20 C LIG 1 -2.619 1.260 1.455 0.00 0.00 +0.051 C ATOM 21 C LIG 1 -3.481 -0.010 1.739 0.00 0.00 +0.079 C ATOM 22 C LIG 1 -4.781 0.297 0.960 0.00 0.00 +0.104 C ATOM 23 N LIG 1 -4.307 1.019 -0.221 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 -3.355 1.997 0.315 0.00 0.00 +0.094 C BRANCH 21 25 ATOM 25 N LIG 1 -3.714 -0.306 3.180 0.00 0.00 -0.304 NA ATOM 26 C LIG 1 -4.602 -1.463 3.346 0.00 0.00 +0.104 C ATOM 27 C LIG 1 -2.451 -0.576 3.877 0.00 0.00 +0.104 C ENDBRANCH 21 25 BRANCH 23 28 ATOM 28 C LIG 1 -5.370 1.652 -1.004 0.00 0.00 +0.122 C BRANCH 28 29 ATOM 29 C LIG 1 -6.215 0.653 -1.768 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.651 0.027 -2.891 0.00 0.00 +0.128 A ATOM 31 F LIG 1 -4.407 0.342 -3.283 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -6.355 -0.912 -3.638 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -7.653 -1.247 -3.273 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -8.240 -0.634 -2.166 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.538 0.318 -1.403 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -8.232 0.955 -0.231 0.00 0.00 +0.044 C ENDBRANCH 28 29 ENDBRANCH 23 28 ENDBRANCH 4 20 TORSDOF 6